4,4'-bis[(2,2,2-trichloroethyl)methoxycarboxylate]benzil | 229623-76-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4,4'-bis[(2,2,2-trichloroethyl)methoxycarboxylate]benzil
• 英文别名: 2,2,2-Trichloroethyl 2-[4-[2-oxo-2-[4-[2-oxo-2-(2,2,2-trichloroethoxy)ethoxy]phenyl]acetyl]phenoxy]acetate；2,2,2-trichloroethyl 2-[4-[2-oxo-2-[4-[2-oxo-2-(2,2,2-trichloroethoxy)ethoxy]phenyl]acetyl]phenoxy]acetate
• CAS: 229623-76-1
• 化学式: C₂₂H₁₆Cl₆O₈
• 分子量: 621.082
• InChiKey: WNZPKFXWYMBTQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  36
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4,4'-bis[(2,2,2-trichloroethyl)methoxycarboxylate]benzil 在 溶剂黄146 、 三氟乙酸 、 锌 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 48.5h， 生成 2,2'-((((3ar,6ar)-1,6-bis(2-(benzyloxy)-2-oxoethyl)-2,5-dioxotetrahydroimidazo[4,5-d]imidazole-3a,6a(1H,4H)-diyl)bis(4,1-phenylene))bis(oxy))diacetic acid
  参考文献：
  名称：

  Multifunctionalized Glycolurils

  摘要：

  Synthetic approaches to a variety of substituted glycoluril compounds are presented herein. We have applied several of these compounds in the solution-phase synthesis of combinatorial libraries, and we have developed methods to differentiate individual reaction sites for the stepwise synthesis of individual polyfunctionalized compounds.

  DOI：

  10.1021/ol990536t
• 作为产物：
  描述：

  4,4'-bis(methoxycarboxylic acid)benzil 在 草酰氯 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 23.0h， 生成 4,4'-bis[(2,2,2-trichloroethyl)methoxycarboxylate]benzil
  参考文献：
  名称：

  Multifunctionalized Glycolurils

  摘要：

  Synthetic approaches to a variety of substituted glycoluril compounds are presented herein. We have applied several of these compounds in the solution-phase synthesis of combinatorial libraries, and we have developed methods to differentiate individual reaction sites for the stepwise synthesis of individual polyfunctionalized compounds.

  DOI：

  10.1021/ol990536t

文献信息

• Glycoluril core molecules for combinatorial libraries
  申请人：Rebek, Jr. Julius

  公开号：US06939973B1

  公开（公告）日：2005-09-06

  The present invention provides novel glycoluril derivatives for use as core molecules in combinatorial chemistry. Core molecules of the present invention can contain from one to six building blocks. Preferred building blocks are substituted amine radicals. Combinatorial libraries containing such core molecules are also provided.

  本发明提供了用作组合化学中核心分子的新型甘氨酰脲衍生物。本发明的核心分子可以包含从一个到六个构建块。首选的构建块是取代胺基团。还提供了含有这种核心分子的组合式文库。
• Multifunctionalized Glycolurils
  作者：Kent E. Pryor、Julius Rebek

  DOI：10.1021/ol990536t

  日期：1999.7.1

  Synthetic approaches to a variety of substituted glycoluril compounds are presented herein. We have applied several of these compounds in the solution-phase synthesis of combinatorial libraries, and we have developed methods to differentiate individual reaction sites for the stepwise synthesis of individual polyfunctionalized compounds.